SCHEMBL31428485

SCHEMBL31428485

COc1cc(/C=C2/C(=O)c3ccccc3N2C(C)=O)ccc1OCCN1CCOCC1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 1/20 0.52
▸ NPC1 O15118 1/20 0.51
▸ RAB9A P51151 2/20 0.51
▸ ALDH1A1 P00352 4/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ MAPT P10636 3/20 0.46
▸ TDP1 Q9NUW8 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ KDM4E B2RXH2 3/20 0.45
▸ BCHE P06276 2/20 0.45
▸ ACHE P22303 2/20 0.45
▸ HIF1AN Q9NWT6 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30163514 0.86 ALDH1A1 (0.60) ALDH1A1KMT2AMAPTTDP1SMN1; SMN2
SCHEMBL31429081 0.85 MAPT (0.53) NPC1RAB9AALDH1A1KMT2AMAPT
SCHEMBL31428917 0.83 MAPT (0.52) NPC1RAB9AALDH1A1KMT2AMAPT
SCHEMBL31428656 0.82 MAPT (0.54) ALDH1A1KMT2AMAPTTDP1SMN1; SMN2
SCHEMBL30163547 0.81 ALDH1A1 (0.53) ALDH1A1KMT2AMAPTTDP1SMN1; SMN2
SCHEMBL31428792 0.80 ALDH1A1 (0.53) ALDH1A1KMT2AMAPTTDP1SMN1; SMN2
SCHEMBL31428963 0.80 MAPT (0.53) ALDH1A1KMT2AMAPTTDP1SMN1; SMN2
SCHEMBL30163485 0.80 MAPT (0.53) ALDH1A1KMT2AMAPTTDP1SMN1; SMN2
SCHEMBL31428829 0.80 KDM4E (0.58) ALDH1A1KMT2AMAPTTDP1SMN1; SMN2
SCHEMBL31428575 0.80 MAPT (0.43) ALDH1A1KMT2AMAPTTDP1SMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250091994-A1 RAS/RAF BINDING INHIBITOR COMPOUND NATIONAL UNIVERSITY CORPORATION KOBE UNIVERSITY (JP) 2025-03-20 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20250091994-A1 RAS/RAF BINDING INHIBITOR COMPOUND BRAF, RAF1, NRAS LRRK2 532/4885NPC1 3237/4885RAB9A 67/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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